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CHEBI:192316 - (E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)

Default Structure
ChEBI IDCHEBI:192316
ChEBI Name(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H34N4O6
Net Charge0
Average Mass642.712
Monoisotopic Mass642.24783
SMILESO=C(/C=C/c1ccc(O)cc1)NCCc1cnc2ccc(O)c(-c3c(O)ccc4ncc(CCNC(=O)/C=C/c5ccc(O)cc5)c34)c12
InChIInChI=1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)/b15-5+,16-6+
InChIKeyOIUNULHHOJRJBI-IAGONARPSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
(E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin) (CHEBI:192316) is a hydroxyindoles (CHEBI:84729)
IUPAC Name 
(E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Manual XrefsDatabases
9939442ChemSpider
HMDB0041431HMDB